search

jjgoings / McMurchie-Davidson

do a simple closed shell Hartree-Fock using McMurchie-Davidson to compute integrals
BSD 3-Clause "New" or "Revised" License
78 stars 17 forks source link

add standalone davidson test w/ near-degeneracies #17

Closed jjgoings closed 3 years ago

jjgoings commented 3 years ago

actually adding the test case...